(4R)-4-(2-chlorophenyl)-5-nitropentan-2-one

C11H12ClNO3 — CID 132524338

IUPAC(4R)-4-(2-chlorophenyl)-5-nitropentan-2-one
SMILESCC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C11H12ClNO3/c1-8(14)6-9(7-13(15)16)10-4-2-3-5-11(10)12/h2-5,9H,6-7H2,1H3/t9-/m0/s1
InChIKeyIAAMQKGZIZTLEN-VIFPVBQESA-N
MW241.67 g/mol
LogP2.68
Rot. Bonds5

About (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one

(4R)-4-(2-chlorophenyl)-5-nitropentan-2-one (PubChem CID 132524338) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-chlorophenyl)-5-nitropentan-2-one
PubChem CID132524338
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(4R)-4-(2-chlorophenyl)-5-nitropentan-2-one
SMILESCC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C11H12ClNO3/c1-8(14)6-9(7-13(15)16)10-4-2-3-5-11(10)12/h2-5,9H,6-7H2,1H3/t9-/m0/s1
InChIKeyIAAMQKGZIZTLEN-VIFPVBQESA-N
XLogP2.68
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-chlorophenyl)-4-nitrobutanoic acid
CID 94688236
(1S)-1-(2-chlorophenyl)-2-nitroethanol
CID 11550196
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
1-chloro-2-(1-nitroethyl)benzene
CID 21252639
1-chloro-2-[(2S,3S)-1,3-dinitropentan-2-yl]benzene
CID 15940431
methyl 4-nitro-3-(2-propan-2-ylphenyl)butanoate
CID 18383983
3-(2-chlorophenyl)pentanediamide
CID 13034531
2-[(2S)-1-nitrobutan-2-yl]phenol
CID 100982834
methyl (4R)-4-(2-fluorophenyl)-5-nitro-2-oxopentanoate
CID 102460568
4-nitro-3-[2-(trifluoromethyl)phenyl]butanoic acid
CID 68539752
(4S)-4-(3,4-dimethoxyphenyl)-5-nitropentan-2-one
CID 46201853
2-[1-(2-chlorophenyl)-2-nitroethyl]sulfanylethanamine
CID 15031

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one?
The IUPAC name of (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one (CID 132524338) is (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one.
What is the SMILES notation for (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one?
The canonical SMILES for (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one is CC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1Cl.
What is the InChIKey of (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one?
The InChIKey is IAAMQKGZIZTLEN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-8(14)6-9(7-13(15)16)10-4-2-3-5-11(10)12/h2-5,9H,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one?
(4R)-4-(2-chlorophenyl)-5-nitropentan-2-one has a molecular weight of 241.67 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chlorophenyl)-5-nitropentan-2-one is sourced from PubChem (CID 132524338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).